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

C15H21N5O — CID 97147352

IUPAC3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(C)n1
InChIInChI=1S/C15H21N5O/c1-3-6-20-9-13(10(2)19-20)15(21)17-12-4-5-14-11(7-12)8-16-18-14/h8-9,12H,3-7H2,1-2H3,(H,16,18)(H,17,21)/t12-/m1/s1
InChIKeyUOXRUYPOPXQJED-GFCCVEGCSA-N
MW287.37 g/mol
LogP1.61
Rot. Bonds4

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

3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide (PubChem CID 97147352) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
PubChem CID97147352
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(C)n1
InChIInChI=1S/C15H21N5O/c1-3-6-20-9-13(10(2)19-20)15(21)17-12-4-5-14-11(7-12)8-16-18-14/h8-9,12H,3-7H2,1-2H3,(H,16,18)(H,17,21)/t12-/m1/s1
InChIKeyUOXRUYPOPXQJED-GFCCVEGCSA-N
XLogP1.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide (CID 97147352) is 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide?
The InChIKey is UOXRUYPOPXQJED-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-6-20-9-13(10(2)19-20)15(21)17-12-4-5-14-11(7-12)8-16-18-14/h8-9,12H,3-7H2,1-2H3,(H,16,18)(H,17,21)/t12-/m1/s1.
What are the key properties of 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide?
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97147352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).