4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile

C15H18N4 — CID 143422632

IUPAC4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CC(C#N)=CC=C1n1ccc(NCC2CC2)n1
InChIInChI=1S/C15H18N4/c1-11-8-13(9-16)4-5-14(11)19-7-6-15(18-19)17-10-12-2-3-12/h4-7,11-12H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyKDWJLVLAYDDARL-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds4

About 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile

4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile (PubChem CID 143422632) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile
PubChem CID143422632
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CC(C#N)=CC=C1n1ccc(NCC2CC2)n1
InChIInChI=1S/C15H18N4/c1-11-8-13(9-16)4-5-14(11)19-7-6-15(18-19)17-10-12-2-3-12/h4-7,11-12H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyKDWJLVLAYDDARL-UHFFFAOYSA-N
XLogP3.04
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-N-methylpyrazol-3-amine
CID 135232912
N-[(3E)-5-(2-fluoro-2-methylcyclopropyl)penta-1,3-dien-2-yl]-1-methylpyrazol-3-amine
CID 177342696
1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
1-(2-Propan-2-yl-1,2-dihydropyridin-5-yl)pyrazol-3-amine
CID 143818183
7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 144917454
6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
CID 145343959
6-cyclopropyl-3-methyl-N-(1H-pyrazol-5-yl)-1,2-dihydropyridin-4-amine
CID 147423670
7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine
CID 163907633
(4S)-6-amino-5-methyl-4-[(2E)-2-[methylamino-[(2-methylpyrazol-3-yl)amino]methylidene]butyl]cyclohexa-1,5-diene-1-carbonitrile
CID 173698758
N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium
CID 176600355
1-methyl-N-(4-propan-2-ylbenzene-5-id-1-yl)pyrazol-3-amine;yttrium
CID 176600378
N-(cyclohex-3-en-1-ylmethyl)-1-methyl-1H-pyrazol-3-amine
CID 60810119

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile (CID 143422632) is 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile is CC1CC(C#N)=CC=C1n1ccc(NCC2CC2)n1.
What is the InChIKey of 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is KDWJLVLAYDDARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-8-13(9-16)4-5-14(11)19-7-6-15(18-19)17-10-12-2-3-12/h4-7,11-12H,2-3,8,10H2,1H3,(H,17,18).
What are the key properties of 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile?
4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 143422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).