3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine

C18H26N6 — CID 141379231

IUPAC3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine
SMILESNc1cc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n[nH]1
InChIInChI=1S/C18H26N6/c19-17-13-18(22-21-17)20-14-3-5-15(6-4-14)24-11-7-16(8-12-24)23-9-1-2-10-23/h3-6,13,16H,1-2,7-12H2,(H4,19,20,21,22)
InChIKeyKTWKPXDFZREDGY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.80
Rot. Bonds4

About 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine

3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine (PubChem CID 141379231) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine
PubChem CID141379231
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine
SMILESNc1cc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n[nH]1
InChIInChI=1S/C18H26N6/c19-17-13-18(22-21-17)20-14-3-5-15(6-4-14)24-11-7-16(8-12-24)23-9-1-2-10-23/h3-6,13,16H,1-2,7-12H2,(H4,19,20,21,22)
InChIKeyKTWKPXDFZREDGY-UHFFFAOYSA-N
XLogP2.80
TPSA73.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
CID 91223873
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452966
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 71765303
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-N-[2-(5-chloro-2,4-difluorophenyl)pyrimidin-4-yl]-2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 166035650
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
CID 80812289
6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 22567344
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine (CID 141379231) is 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine is Nc1cc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2)n[nH]1.
What is the InChIKey of 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is KTWKPXDFZREDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c19-17-13-18(22-21-17)20-14-3-5-15(6-4-14)24-11-7-16(8-12-24)23-9-1-2-10-23/h3-6,13,16H,1-2,7-12H2,(H4,19,20,21,22).
What are the key properties of 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine?
3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 141379231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).