N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide

C19H21ClN6O — CID 56942650

IUPACN-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2(C)CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C19H21ClN6O/c1-3-26-11-14(20)17(25-26)22-18(27)19(2)7-4-15-13(10-19)16(24-23-15)12-5-8-21-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,23,24)(H,22,25,27)
InChIKeyDOSWXSPABKPMIE-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.48
Rot. Bonds4

About N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide

N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide (PubChem CID 56942650) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide
PubChem CID56942650
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2(C)CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C19H21ClN6O/c1-3-26-11-14(20)17(25-26)22-18(27)19(2)7-4-15-13(10-19)16(24-23-15)12-5-8-21-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,23,24)(H,22,25,27)
InChIKeyDOSWXSPABKPMIE-UHFFFAOYSA-N
XLogP3.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide?
The IUPAC name of N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide (CID 56942650) is N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide is CCn1cc(Cl)c(NC(=O)C2(C)CCc3[nH]nc(-c4ccncc4)c3C2)n1.
What is the InChIKey of N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide?
The InChIKey is DOSWXSPABKPMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-3-26-11-14(20)17(25-26)22-18(27)19(2)7-4-15-13(10-19)16(24-23-15)12-5-8-21-9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,23,24)(H,22,25,27).
What are the key properties of N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide?
N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide is sourced from PubChem (CID 56942650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).