N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide

C17H21N5OS — CID 50974595

IUPACN,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)n(C)n1
InChIInChI=1S/C17H21N5OS/c1-11(2)13-9-15(22(4)20-13)17(23)21(3)10-12-8-14(19-18-12)16-6-5-7-24-16/h5-9,11H,10H2,1-4H3,(H,18,19)
InChIKeyFEUIXVMFKJEMSL-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.27
Rot. Bonds5

About N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide

N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 50974595) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID50974595
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)n(C)n1
InChIInChI=1S/C17H21N5OS/c1-11(2)13-9-15(22(4)20-13)17(23)21(3)10-12-8-14(19-18-12)16-6-5-7-24-16/h5-9,11H,10H2,1-4H3,(H,18,19)
InChIKeyFEUIXVMFKJEMSL-UHFFFAOYSA-N
XLogP3.27
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131942905
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 172911318
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
(3R,6S)-1-acetyl-6-amino-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]azepane-3-carboxamide;hydrochloride
CID 166600077
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
2-[(3R)-1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136891411
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 75375888
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide (CID 50974595) is N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)n(C)n1.
What is the InChIKey of N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is FEUIXVMFKJEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11(2)13-9-15(22(4)20-13)17(23)21(3)10-12-8-14(19-18-12)16-6-5-7-24-16/h5-9,11H,10H2,1-4H3,(H,18,19).
What are the key properties of N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide?
N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 50974595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).