N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

C16H25ClN4 — CID 79108705

IUPACN-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C16H25ClN4/c1-5-9-18-12(3)14-8-7-10-21(14)11-15-16(17)13(6-2)19-20(15)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3
InChIKeyRGVPGGPDRSWTMV-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79108705) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79108705
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC NameN-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C16H25ClN4/c1-5-9-18-12(3)14-8-7-10-21(14)11-15-16(17)13(6-2)19-20(15)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3
InChIKeyRGVPGGPDRSWTMV-UHFFFAOYSA-N
XLogP3.55
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101753
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408783
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79103070
(1R)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374430
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 79108705) is N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is RGVPGGPDRSWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-5-9-18-12(3)14-8-7-10-21(14)11-15-16(17)13(6-2)19-20(15)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3.
What are the key properties of N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 308.86 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79108705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).