N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20N6OS — CID 19441319

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cnn3c(-c4cccs4)ccnc23)c(C)n1
InChIInChI=1S/C19H20N6OS/c1-4-24-12-14(13(2)22-24)11-23(3)19(26)15-10-21-25-16(7-8-20-18(15)25)17-6-5-9-27-17/h5-10,12H,4,11H2,1-3H3
InChIKeyJWTSIOLAQOIZEV-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.25
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19441319) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19441319
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cnn3c(-c4cccs4)ccnc23)c(C)n1
InChIInChI=1S/C19H20N6OS/c1-4-24-12-14(13(2)22-24)11-23(3)19(26)15-10-21-25-16(7-8-20-18(15)25)17-6-5-9-27-17/h5-10,12H,4,11H2,1-3H3
InChIKeyJWTSIOLAQOIZEV-UHFFFAOYSA-N
XLogP3.25
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19454409
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458330
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458584
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441308
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19333033
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
2-methylsulfonylethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 47079378
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572343
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(1,3-benzodioxol-5-ylmethyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39004143

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19441319) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(CN(C)C(=O)c2cnn3c(-c4cccs4)ccnc23)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JWTSIOLAQOIZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-4-24-12-14(13(2)22-24)11-23(3)19(26)15-10-21-25-16(7-8-20-18(15)25)17-6-5-9-27-17/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).