N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C19H28N4 — CID 91796696

IUPACN,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cn(C)nc2-c2ccccc2)C1
InChIInChI=1S/C19H28N4/c1-4-23(5-2)18-11-12-22(15-18)14-17-13-21(3)20-19(17)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12,14-15H2,1-3H3
InChIKeyNBVCTPCCOQSHHY-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.00
Rot. Bonds6

About N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine

N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 91796696) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID91796696
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cn(C)nc2-c2ccccc2)C1
InChIInChI=1S/C19H28N4/c1-4-23(5-2)18-11-12-22(15-18)14-17-13-21(3)20-19(17)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12,14-15H2,1-3H3
InChIKeyNBVCTPCCOQSHHY-UHFFFAOYSA-N
XLogP3.00
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
CID 74235992
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
CID 51633841
ethyl 4-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250547
(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 25455232
(7S,9aR)-2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7-(2-methylpropyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461586
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45172721
1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine
CID 91646987
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine
CID 28957881
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 91796696) is N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CCN(CC)C1CCN(Cc2cn(C)nc2-c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is NBVCTPCCOQSHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-23(5-2)18-11-12-22(15-18)14-17-13-21(3)20-19(17)16-9-7-6-8-10-16/h6-10,13,18H,4-5,11-12,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 91796696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).