6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine

C20H19ClN6 — CID 164617226

IUPAC6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1cc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2cc1N[C@@H]1CCNC1
InChIInChI=1S/C20H19ClN6/c21-17-9-18-16(8-19(17)24-14-6-7-22-11-14)20(26-25-18)13-10-23-27(12-13)15-4-2-1-3-5-15/h1-5,8-10,12,14,22,24H,6-7,11H2,(H,25,26)/t14-/m1/s1
InChIKeyUMMMHBBIKWZESI-CQSZACIVSA-N
MW378.87 g/mol
LogP3.84
Rot. Bonds4

About 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine

6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 164617226) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID164617226
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC Name6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESClc1cc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2cc1N[C@@H]1CCNC1
InChIInChI=1S/C20H19ClN6/c21-17-9-18-16(8-19(17)24-14-6-7-22-11-14)20(26-25-18)13-10-23-27(12-13)15-4-2-1-3-5-15/h1-5,8-10,12,14,22,24H,6-7,11H2,(H,25,26)/t14-/m1/s1
InChIKeyUMMMHBBIKWZESI-CQSZACIVSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146020619
3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
CID 156613395
N-(1-(2-chlorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098468
N-(1-(2-chlorobenzyl)pyrrolidin-3-yl)-1H-indazol-5-amine
CID 21098469
N-(1-(3-chlorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098478
N-(1-(3-chlorobenzyl)pyrrolidin-3-yl)-1H-indazol-5-amine
CID 21098480
N-(1-(4-chlorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098488
N-(1-(4-chlorobenzyl)piperidin-4-yl)-1H-indazol-5-amine
CID 21098489
N-(1-(4-chlorobenzyl)pyrrolidin-3-yl)-1H-indazol-5-amine
CID 21098490
5-(4-benzyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 25165085
5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166251
5-(4-phenethyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 51346827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine (CID 164617226) is 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine is Clc1cc2[nH]nc(-c3cnn(-c4ccccc4)c3)c2cc1N[C@@H]1CCNC1.
What is the InChIKey of 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is UMMMHBBIKWZESI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19ClN6/c21-17-9-18-16(8-19(17)24-14-6-7-22-11-14)20(26-25-18)13-10-23-27(12-13)15-4-2-1-3-5-15/h1-5,8-10,12,14,22,24H,6-7,11H2,(H,25,26)/t14-/m1/s1.
What are the key properties of 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine?
6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine has a molecular weight of 378.87 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 164617226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).