5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide

C17H25N5O — CID 50977929

IUPAC5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCc2n[nH]c3c2CCCC3)c1C
InChIInChI=1S/C17H25N5O/c1-3-10-22-12(2)14(11-19-22)17(23)18-9-8-16-13-6-4-5-7-15(13)20-21-16/h11H,3-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyRHSXHVHBDQCHBY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.18
Rot. Bonds6

About 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide

5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 50977929) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID50977929
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCc2n[nH]c3c2CCCC3)c1C
InChIInChI=1S/C17H25N5O/c1-3-10-22-12(2)14(11-19-22)17(23)18-9-8-16-13-6-4-5-7-15(13)20-21-16/h11H,3-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyRHSXHVHBDQCHBY-UHFFFAOYSA-N
XLogP2.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50962184
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56884693
N,5-dimethyl-1-propyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 72882292
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539
5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 118740154
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 96405032
N,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 97157689
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
CID 127768753
N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-3-cyclopropyl-1-ethylpyrazole-4-carboxamide
CID 136587957
2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide
CID 164636750
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56312823

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 50977929) is 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCc2n[nH]c3c2CCCC3)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is RHSXHVHBDQCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-10-22-12(2)14(11-19-22)17(23)18-9-8-16-13-6-4-5-7-15(13)20-21-16/h11H,3-10H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50977929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).