N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide

C17H25N5O — CID 97157689

IUPACN,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cnn1C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22-12(3)13(9-19-22)17(23)20(4)15-7-6-8-16-14(15)10-18-21(16)5/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKeyIDBSRHPMIWQXSU-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.66
Rot. Bonds3

About N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide

N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 97157689) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID97157689
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cnn1C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22-12(3)13(9-19-22)17(23)20(4)15-7-6-8-16-14(15)10-18-21(16)5/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKeyIDBSRHPMIWQXSU-HNNXBMFYSA-N
XLogP2.66
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N,5-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 97157688
N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohex-3-ene-1-carboxamide
CID 166231848
3-[(1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethyl]-1-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 167879491
3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 94813213
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519573
N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 79121459
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
CID 97238870
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 97157689) is N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cnn1C(C)C.
What is the InChIKey of N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IDBSRHPMIWQXSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22-12(3)13(9-19-22)17(23)20(4)15-7-6-8-16-14(15)10-18-21(16)5/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1.
What are the key properties of N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 97157689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).