N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine

C24H31N5 — CID 119122665

IUPACN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
SMILESCCCN1CCC(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1
InChIInChI=1S/C24H31N5/c1-2-14-28-15-10-20(11-16-28)17-26-18-22-19-29(23-6-4-3-5-7-23)27-24(22)21-8-12-25-13-9-21/h3-9,12-13,19-20,26H,2,10-11,14-18H2,1H3
InChIKeyUPSOYXAFDNPXNI-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.15
Rot. Bonds8

About N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine (PubChem CID 119122665) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
PubChem CID119122665
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
SMILESCCCN1CCC(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1
InChIInChI=1S/C24H31N5/c1-2-14-28-15-10-20(11-16-28)17-26-18-22-19-29(23-6-4-3-5-7-23)27-24(22)21-8-12-25-13-9-21/h3-9,12-13,19-20,26H,2,10-11,14-18H2,1H3
InChIKeyUPSOYXAFDNPXNI-UHFFFAOYSA-N
XLogP4.15
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
1-[(2R)-1,4-dioxan-2-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 95152409
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
benzyl 4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 60604630
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxo-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide
CID 100610825
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine (CID 119122665) is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine is CCCN1CCC(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1.
What is the InChIKey of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine?
The InChIKey is UPSOYXAFDNPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-2-14-28-15-10-20(11-16-28)17-26-18-22-19-29(23-6-4-3-5-7-23)27-24(22)21-8-12-25-13-9-21/h3-9,12-13,19-20,26H,2,10-11,14-18H2,1H3.
What are the key properties of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine?
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine has a molecular weight of 389.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine is sourced from PubChem (CID 119122665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).