(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid

C17H14Cl2N4O2 — CID 155104368

IUPAC(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid
SMILESO=C(O)N(Cc1cccc(Cl)c1)c1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C17H14Cl2N4O2/c18-12-3-1-2-10(6-12)9-22(17(24)25)15-7-14(19)21-16-13(11-4-5-11)8-20-23(15)16/h1-3,6-8,11H,4-5,9H2,(H,24,25)
InChIKeyFAHBEFWFISNMNJ-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.60
Rot. Bonds4

About (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid

(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid (PubChem CID 155104368) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid
PubChem CID155104368
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid
SMILESO=C(O)N(Cc1cccc(Cl)c1)c1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C17H14Cl2N4O2/c18-12-3-1-2-10(6-12)9-22(17(24)25)15-7-14(19)21-16-13(11-4-5-11)8-20-23(15)16/h1-3,6-8,11H,4-5,9H2,(H,24,25)
InChIKeyFAHBEFWFISNMNJ-UHFFFAOYSA-N
XLogP4.60
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 166529619
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
tert-butyl 4-[[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(4-pyridin-2-ylphenyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]piperidine-1-carboxylate
CID 166529634
1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2R)-2-hydroxycyclobutyl]ethanone;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159170783
1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720767
2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
[3-[(3-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799598
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid?
The IUPAC name of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid (CID 155104368) is (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid.
What is the SMILES notation for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid?
The canonical SMILES for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid is O=C(O)N(Cc1cccc(Cl)c1)c1cc(Cl)nc2c(C3CC3)cnn12.
What is the InChIKey of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid?
The InChIKey is FAHBEFWFISNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c18-12-3-1-2-10(6-12)9-22(17(24)25)15-7-14(19)21-16-13(11-4-5-11)8-20-23(15)16/h1-3,6-8,11H,4-5,9H2,(H,24,25).
What are the key properties of (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid?
(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid has a molecular weight of 377.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid is sourced from PubChem (CID 155104368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).