1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine

C15H23ClN4 — CID 66406268

IUPAC1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCCc1nn(CC)c(Cn2cccc2CC(C)N)c1Cl
InChIInChI=1S/C15H23ClN4/c1-4-13-15(16)14(20(5-2)18-13)10-19-8-6-7-12(19)9-11(3)17/h6-8,11H,4-5,9-10,17H2,1-3H3
InChIKeyGRMOXQJXQKFHNL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine

1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66406268) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine
PubChem CID66406268
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCCc1nn(CC)c(Cn2cccc2CC(C)N)c1Cl
InChIInChI=1S/C15H23ClN4/c1-4-13-15(16)14(20(5-2)18-13)10-19-8-6-7-12(19)9-11(3)17/h6-8,11H,4-5,9-10,17H2,1-3H3
InChIKeyGRMOXQJXQKFHNL-UHFFFAOYSA-N
XLogP2.86
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402791
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanone
CID 79107443
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102418
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 104846518
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79098652
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-ethylethanamine
CID 79109001
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105161547
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine (CID 66406268) is 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine is CCc1nn(CC)c(Cn2cccc2CC(C)N)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is GRMOXQJXQKFHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-13-15(16)14(20(5-2)18-13)10-19-8-6-7-12(19)9-11(3)17/h6-8,11H,4-5,9-10,17H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine?
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 294.83 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66406268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).