3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine

C22H27N5 — CID 120782167

IUPAC3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCC1N
InChIInChI=1S/C22H27N5/c1-22(2)16-26(13-10-20(22)23)14-18-15-27(19-6-4-3-5-7-19)25-21(18)17-8-11-24-12-9-17/h3-9,11-12,15,20H,10,13-14,16,23H2,1-2H3
InChIKeySIPSHGIUIROADD-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.49
Rot. Bonds4

About 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 120782167) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID120782167
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCC1N
InChIInChI=1S/C22H27N5/c1-22(2)16-26(13-10-20(22)23)14-18-15-27(19-6-4-3-5-7-19)25-21(18)17-8-11-24-12-9-17/h3-9,11-12,15,20H,10,13-14,16,23H2,1-2H3
InChIKeySIPSHGIUIROADD-UHFFFAOYSA-N
XLogP3.49
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164695792
(3aS,6aR)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045162
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316660
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
CID 119122665
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
3,3-dimethyl-1-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 120782169
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
(3aR,7aR)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336256

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine (CID 120782167) is 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine is CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is SIPSHGIUIROADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-22(2)16-26(13-10-20(22)23)14-18-15-27(19-6-4-3-5-7-19)25-21(18)17-8-11-24-12-9-17/h3-9,11-12,15,20H,10,13-14,16,23H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120782167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).