1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid

C12H12N4O3 — CID 146136440

IUPAC1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cnn2cccnc12
InChIInChI=1S/C12H12N4O3/c17-10(14-7-12(2-3-12)11(18)19)8-6-15-16-5-1-4-13-9(8)16/h1,4-6H,2-3,7H2,(H,14,17)(H,18,19)
InChIKeyQJWWYOROJYKEBZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.32
Rot. Bonds4

About 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 146136440) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID146136440
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cnn2cccnc12
InChIInChI=1S/C12H12N4O3/c17-10(14-7-12(2-3-12)11(18)19)8-6-15-16-5-1-4-13-9(8)16/h1,4-6H,2-3,7H2,(H,14,17)(H,18,19)
InChIKeyQJWWYOROJYKEBZ-UHFFFAOYSA-N
XLogP0.32
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(pyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 103791309
N-[2-(3,3-difluorocyclopentyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136567610
3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120700463
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977011
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(1,1-dioxothietan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166255196
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123484761
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167922189

Frequently Asked Questions

What is the IUPAC name of 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid (CID 146136440) is 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cnn2cccnc12.
What is the InChIKey of 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QJWWYOROJYKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10(14-7-12(2-3-12)11(18)19)8-6-15-16-5-1-4-13-9(8)16/h1,4-6H,2-3,7H2,(H,14,17)(H,18,19).
What are the key properties of 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146136440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).