N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine

C14H19N3 — CID 43486000

IUPACN,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESCNC(c1cnn(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C14H19N3/c1-11(2)14(15-3)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-11,14-15H,1-3H3
InChIKeyYSSPIMDJOHCXDN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.79
Rot. Bonds4

About N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine

N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine (PubChem CID 43486000) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
PubChem CID43486000
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESCNC(c1cnn(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C14H19N3/c1-11(2)14(15-3)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-11,14-15H,1-3H3
InChIKeyYSSPIMDJOHCXDN-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
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CID 81470645
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 130465956
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 103932265
3-bromo-N-[1-(1-phenylpyrazol-4-yl)ethyl]aniline
CID 81472821

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine (CID 43486000) is N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine is CNC(c1cnn(-c2ccccc2)c1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The InChIKey is YSSPIMDJOHCXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)14(15-3)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-11,14-15H,1-3H3.
What are the key properties of N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43486000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).