cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide

C16H17N5O — CID 136759892

IUPACcis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c12
InChIInChI=1S/C16H17N5O/c1-9-13-14(18-19-15(13)21(2)20-9)17-16(22)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H2,17,18,19,22)/t11-,12-/m1/s1
InChIKeyZVMLHHJTAZDZMP-VXGBXAGGSA-N
MW295.35 g/mol
LogP2.35
Rot. Bonds3

About cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 136759892) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID136759892
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Namecis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c12
InChIInChI=1S/C16H17N5O/c1-9-13-14(18-19-15(13)21(2)20-9)17-16(22)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H2,17,18,19,22)/t11-,12-/m1/s1
InChIKeyZVMLHHJTAZDZMP-VXGBXAGGSA-N
XLogP2.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 136759892) is cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide is Cc1nn(C)c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c12.
What is the InChIKey of cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZVMLHHJTAZDZMP-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-13-14(18-19-15(13)21(2)20-9)17-16(22)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H2,17,18,19,22)/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 136759892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).