N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine

C13H18N4 — CID 163777343

IUPACN-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCCC1N=C(Nc2cc(C)[nH]n2)C=C1C1CC1
InChIInChI=1S/C13H18N4/c1-3-11-10(9-4-5-9)7-12(14-11)15-13-6-8(2)16-17-13/h6-7,9,11H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyMLPRAEGVVQDFCB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.66
Rot. Bonds3

About N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine

N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 163777343) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine
PubChem CID163777343
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCCC1N=C(Nc2cc(C)[nH]n2)C=C1C1CC1
InChIInChI=1S/C13H18N4/c1-3-11-10(9-4-5-9)7-12(14-11)15-13-6-8(2)16-17-13/h6-7,9,11H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyMLPRAEGVVQDFCB-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2Z,4E)-2-amino-1-cyclopropyl-5-fluorohepta-2,4,6-trienyl]-1-[(1E)-2-chloro-1-[(5-methyl-1H-pyrazol-3-yl)amino]buta-1,3-dienyl]guanidine
CID 89160299
4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine
CID 143919060
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[1-(4-ethyl-3-fluoro-3-phosphanylpyrrolidin-1-yl)ethenyl]but-2-enimidamide
CID 169170207
(5-Cyclopropyl-2H-pyrazol-3-yl)-(3-methyl-butyl)-amine
CID 57910123
(2-Chloro-1,2,5,6,7,8-hexahydro-quinazolin-4-yl)-(5-cyclopropyl-2H-pyrazol-3-yl)-amine
CID 59596323
3-cyclopropyl-N-isopropyl-1H-pyrazol-5-amine
CID 63048309
N,5-di(propan-2-yl)-1H-pyrazol-3-amine
CID 63048486
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 63048866
5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049373
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 68873581
N-heptyl-5-methyl-1H-pyrazol-3-amine
CID 70384755

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine (CID 163777343) is N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine is CCC1N=C(Nc2cc(C)[nH]n2)C=C1C1CC1.
What is the InChIKey of N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is MLPRAEGVVQDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-11-10(9-4-5-9)7-12(14-11)15-13-6-8(2)16-17-13/h6-7,9,11H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine?
N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 163777343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).