N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide

C17H22N6O — CID 95755256

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
SMILESCc1ccc2c(cnn2CCC(=O)Nc2cc(CN(C)C)[nH]n2)c1
InChIInChI=1S/C17H22N6O/c1-12-4-5-15-13(8-12)10-18-23(15)7-6-17(24)19-16-9-14(20-21-16)11-22(2)3/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,21,24)
InChIKeyTXULVESJVRKMNL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide (PubChem CID 95755256) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
PubChem CID95755256
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
SMILESCc1ccc2c(cnn2CCC(=O)Nc2cc(CN(C)C)[nH]n2)c1
InChIInChI=1S/C17H22N6O/c1-12-4-5-15-13(8-12)10-18-23(15)7-6-17(24)19-16-9-14(20-21-16)11-22(2)3/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,21,24)
InChIKeyTXULVESJVRKMNL-UHFFFAOYSA-N
XLogP2.16
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylindazol-1-yl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358553
methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate
CID 95748276
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 95755349
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 95755127
N-[2-[[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95755294
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95755232
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 95755153
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 95755192
3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957995

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide (CID 95755256) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide is Cc1ccc2c(cnn2CCC(=O)Nc2cc(CN(C)C)[nH]n2)c1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide?
The InChIKey is TXULVESJVRKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-4-5-15-13(8-12)10-18-23(15)7-6-17(24)19-16-9-14(20-21-16)11-22(2)3/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,21,24).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide is sourced from PubChem (CID 95755256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).