trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

C17H19N5O2 — CID 136759889

IUPACtrans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)Nc2[nH]nc3c2c(C)nn3C)c1
InChIInChI=1S/C17H19N5O2/c1-9-14-15(19-20-16(14)22(2)21-9)18-17(23)13-8-12(13)10-5-4-6-11(7-10)24-3/h4-7,12-13H,8H2,1-3H3,(H2,18,19,20,23)/t12-,13+/m1/s1
InChIKeyPPPDVSNFZPOVMO-OLZOCXBDSA-N
MW325.37 g/mol
LogP2.36
Rot. Bonds4

About trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 136759889) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID136759889
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Nametrans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)Nc2[nH]nc3c2c(C)nn3C)c1
InChIInChI=1S/C17H19N5O2/c1-9-14-15(19-20-16(14)22(2)21-9)18-17(23)13-8-12(13)10-5-4-6-11(7-10)24-3/h4-7,12-13H,8H2,1-3H3,(H2,18,19,20,23)/t12-,13+/m1/s1
InChIKeyPPPDVSNFZPOVMO-OLZOCXBDSA-N
XLogP2.36
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 136759892
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
CID 137049990
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546246
trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
trans-(1R,2R)-2-(3-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94816452
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95784712
trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 95620243
cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 97329645

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 136759889) is trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc([C@H]2C[C@@H]2C(=O)Nc2[nH]nc3c2c(C)nn3C)c1.
What is the InChIKey of trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PPPDVSNFZPOVMO-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-14-15(19-20-16(14)22(2)21-9)18-17(23)13-8-12(13)10-5-4-6-11(7-10)24-3/h4-7,12-13H,8H2,1-3H3,(H2,18,19,20,23)/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136759889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).