1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide

C18H20N6O — CID 95384971

IUPAC1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)n1
InChIInChI=1S/C18H20N6O/c1-2-23-11-8-16(22-23)18(25)21-15-4-3-5-17-14(15)12-20-24(17)13-6-9-19-10-7-13/h6-12,15H,2-5H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyNKZKFUGPHADBAE-OAHLLOKOSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds4

About 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide

1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95384971) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
PubChem CID95384971
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)n1
InChIInChI=1S/C18H20N6O/c1-2-23-11-8-16(22-23)18(25)21-15-4-3-5-17-14(15)12-20-24(17)13-6-9-19-10-7-13/h6-12,15H,2-5H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyNKZKFUGPHADBAE-OAHLLOKOSA-N
XLogP2.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (CID 95384971) is 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)n1.
What is the InChIKey of 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is NKZKFUGPHADBAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-23-11-8-16(22-23)18(25)21-15-4-3-5-17-14(15)12-20-24(17)13-6-9-19-10-7-13/h6-12,15H,2-5H2,1H3,(H,21,25)/t15-/m1/s1.
What are the key properties of 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?
1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95384971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).