4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine

C18H25N5 — CID 68943222

IUPAC4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C18H25N5/c19-18-17(13-20-21-18)14-4-3-5-16(12-14)23-10-6-15(7-11-23)22-8-1-2-9-22/h3-5,12-13,15H,1-2,6-11H2,(H3,19,20,21)
InChIKeyKSINXUKMVSGXEW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.72
Rot. Bonds3

About 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine

4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 68943222) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID68943222
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C18H25N5/c19-18-17(13-20-21-18)14-4-3-5-16(12-14)23-10-6-15(7-11-23)22-8-1-2-9-22/h3-5,12-13,15H,1-2,6-11H2,(H3,19,20,21)
InChIKeyKSINXUKMVSGXEW-UHFFFAOYSA-N
XLogP2.72
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
CID 31073994
1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepane
CID 31105427
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
CID 117354732
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
CID 117330777
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452966

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine (CID 68943222) is 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is KSINXUKMVSGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c19-18-17(13-20-21-18)14-4-3-5-16(12-14)23-10-6-15(7-11-23)22-8-1-2-9-22/h3-5,12-13,15H,1-2,6-11H2,(H3,19,20,21).
What are the key properties of 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine?
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 311.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 68943222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).