N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C18H19ClN6O — CID 56942651

IUPACN-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C18H19ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12H,2-4,9H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyREPXAONTWXEXRP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.09
Rot. Bonds4

About N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 56942651) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID56942651
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C18H19ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12H,2-4,9H2,1H3,(H,22,23)(H,21,24,26)
InChIKeyREPXAONTWXEXRP-UHFFFAOYSA-N
XLogP3.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.09
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)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 56942651) is N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCn1cc(Cl)c(NC(=O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1.
What is the InChIKey of N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is REPXAONTWXEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12H,2-4,9H2,1H3,(H,22,23)(H,21,24,26).
What are the key properties of N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.09, 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)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 56942651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).