6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H10BrClN4O — CID 3094293

IUPAC6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nn2cc(Br)cnc2c1Cl
InChIInChI=1S/C10H10BrClN4O/c1-2-3-13-10(17)8-7(12)9-14-4-6(11)5-16(9)15-8/h4-5H,2-3H2,1H3,(H,13,17)
InChIKeyFHNFBQWBRSFWML-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.29
Rot. Bonds3

About 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3094293) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3094293
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nn2cc(Br)cnc2c1Cl
InChIInChI=1S/C10H10BrClN4O/c1-2-3-13-10(17)8-7(12)9-14-4-6(11)5-16(9)15-8/h4-5H,2-3H2,1H3,(H,13,17)
InChIKeyFHNFBQWBRSFWML-UHFFFAOYSA-N
XLogP2.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
(6-Bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 840787
6-Bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094292
(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193615
6-Bromo-N-isobutylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 4775733
6-bromo-N-[(1-methyl-1H-pyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775968
3-chloro-6-methyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77094996
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3094293) is 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCNC(=O)c1nn2cc(Br)cnc2c1Cl.
What is the InChIKey of 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FHNFBQWBRSFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-2-3-13-10(17)8-7(12)9-14-4-6(11)5-16(9)15-8/h4-5H,2-3H2,1H3,(H,13,17).
What are the key properties of 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 317.57 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3094293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).