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

C14H19N5O — CID 164636750

IUPAC2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C14H19N5O/c1-2-7-19-13(5-6-16-19)14(20)17-11-4-3-10-9-15-18-12(10)8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,18)(H,17,20)/t11-/m0/s1
InChIKeyOBKWVSCBIQYASO-NSHDSACASA-N
MW273.34 g/mol
LogP1.30
Rot. Bonds4

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

2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide (PubChem CID 164636750) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide
PubChem CID164636750
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C14H19N5O/c1-2-7-19-13(5-6-16-19)14(20)17-11-4-3-10-9-15-18-12(10)8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,18)(H,17,20)/t11-/m0/s1
InChIKeyOBKWVSCBIQYASO-NSHDSACASA-N
XLogP1.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide (CID 164636750) is 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide is CCCn1nccc1C(=O)N[C@H]1CCc2cn[nH]c2C1.
What is the InChIKey of 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide?
The InChIKey is OBKWVSCBIQYASO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-7-19-13(5-6-16-19)14(20)17-11-4-3-10-9-15-18-12(10)8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,18)(H,17,20)/t11-/m0/s1.
What are the key properties of 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide?
2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 164636750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).