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

C16H22N4 — CID 81471251

IUPACN-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1cnn(-c2ccccc2)c1)N(C)C1CCNC1
InChIInChI=1S/C16H22N4/c1-13(19(2)16-8-9-17-11-16)14-10-18-20(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3
InChIKeyQCPZOGLOJOUATD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds4

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

N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 81471251) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID81471251
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1cnn(-c2ccccc2)c1)N(C)C1CCNC1
InChIInChI=1S/C16H22N4/c1-13(19(2)16-8-9-17-11-16)14-10-18-20(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3
InChIKeyQCPZOGLOJOUATD-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 119979118
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
5-[1-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81451490
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 130465956
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
2,3-dimethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 81473453
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
CID 168858472
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (CID 81471251) is N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is CC(c1cnn(-c2ccccc2)c1)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is QCPZOGLOJOUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(19(2)16-8-9-17-11-16)14-10-18-20(12-14)15-6-4-3-5-7-15/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3.
What are the key properties of N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81471251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).