5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine

C20H23N5 — CID 178111461

IUPAC5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine
SMILESC=C(Cc1cnn(-c2cccc(CC)c2)c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H23N5/c1-3-15-5-4-6-18(10-15)25-13-16(12-21-25)9-14(2)22-20-11-19(23-24-20)17-7-8-17/h4-6,10-13,17H,2-3,7-9H2,1H3,(H2,22,23,24)
InChIKeySKSJFEIEVQXXPS-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.20
Rot. Bonds7

About 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine

5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine (PubChem CID 178111461) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine
PubChem CID178111461
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine
SMILESC=C(Cc1cnn(-c2cccc(CC)c2)c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H23N5/c1-3-15-5-4-6-18(10-15)25-13-16(12-21-25)9-14(2)22-20-11-19(23-24-20)17-7-8-17/h4-6,10-13,17H,2-3,7-9H2,1H3,(H2,22,23,24)
InChIKeySKSJFEIEVQXXPS-UHFFFAOYSA-N
XLogP4.20
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene
CID 176713808
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
CID 90243458
[(2S,3R)-3-fluorobutan-2-yl]-[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamic acid
CID 155025570
2-[1-(4-chloro-3-methylphenyl)pyrazol-4-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide;1-cyclopropyl-N-methylethanimine;propane
CID 176713809
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
CID 22176895
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649364

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine (CID 178111461) is 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine is C=C(Cc1cnn(-c2cccc(CC)c2)c1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine?
The InChIKey is SKSJFEIEVQXXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-15-5-4-6-18(10-15)25-13-16(12-21-25)9-14(2)22-20-11-19(23-24-20)17-7-8-17/h4-6,10-13,17H,2-3,7-9H2,1H3,(H2,22,23,24).
What are the key properties of 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine?
5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine has a molecular weight of 333.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-[1-(3-ethylphenyl)pyrazol-4-yl]prop-1-en-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 178111461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).