3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide

C14H15ClN4O2 — CID 99927502

IUPAC3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC[C@@H]2OCCc3ccccc32)c1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-12(18-19-13(11)16)14(20)17-7-10-9-4-2-1-3-8(9)5-6-21-10/h1-4,10H,5-7H2,(H,17,20)(H3,16,18,19)/t10-/m0/s1
InChIKeyWBUXYKUGVKOOMV-JTQLQIEISA-N
MW306.75 g/mol
LogP1.69
Rot. Bonds3

About 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 99927502) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID99927502
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC[C@@H]2OCCc3ccccc32)c1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-12(18-19-13(11)16)14(20)17-7-10-9-4-2-1-3-8(9)5-6-21-10/h1-4,10H,5-7H2,(H,17,20)(H3,16,18,19)/t10-/m0/s1
InChIKeyWBUXYKUGVKOOMV-JTQLQIEISA-N
XLogP1.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 2881036
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 99946586
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 154806392
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 97155095
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 99990409
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 50958581
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97110219
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99930525
N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-(2-phenylethyl)oxamide
CID 3146898
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7270613

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide (CID 99927502) is 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide is Nc1n[nH]c(C(=O)NC[C@@H]2OCCc3ccccc32)c1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WBUXYKUGVKOOMV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-12(18-19-13(11)16)14(20)17-7-10-9-4-2-1-3-8(9)5-6-21-10/h1-4,10H,5-7H2,(H,17,20)(H3,16,18,19)/t10-/m0/s1.
What are the key properties of 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99927502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).