4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine

C14H23N5 — CID 137143903

IUPAC4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine
SMILESC=C(CC)/C(=N\C1CCCNC1)c1cn[nH]c1NC
InChIInChI=1S/C14H23N5/c1-4-10(2)13(12-9-17-19-14(12)15-3)18-11-6-5-7-16-8-11/h9,11,16H,2,4-8H2,1,3H3,(H2,15,17,19)/b18-13+
InChIKeyPFFAHJUWACNDQA-QGOAFFKASA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds5

About 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine

4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine (PubChem CID 137143903) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine
PubChem CID137143903
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine
SMILESC=C(CC)/C(=N\C1CCCNC1)c1cn[nH]c1NC
InChIInChI=1S/C14H23N5/c1-4-10(2)13(12-9-17-19-14(12)15-3)18-11-6-5-7-16-8-11/h9,11,16H,2,4-8H2,1,3H3,(H2,15,17,19)/b18-13+
InChIKeyPFFAHJUWACNDQA-QGOAFFKASA-N
XLogP1.96
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 136082580
6-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 177800975
7-Tert-butyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine
CID 59140376
4-(1-methylpiperidin-2-yl)-1H-pyrazol-5-amine
CID 84075825
4-piperidin-2-yl-1H-pyrazol-5-amine
CID 135284382
(3R)-1-[5-(methylamino)-1H-pyrazole-4-carboximidoyl]piperidin-3-amine
CID 136473703
4-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-b]pyridine
CID 136651102
4-(1-tert-butylpiperidin-2-yl)-1H-pyrazol-5-amine
CID 140925002
ethane;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-b]pyridine
CID 144455701
N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
CID 151272860
4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine
CID 163672950
N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine
CID 166865325

Frequently Asked Questions

What is the IUPAC name of 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine (CID 137143903) is 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine is C=C(CC)/C(=N\C1CCCNC1)c1cn[nH]c1NC.
What is the InChIKey of 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine?
The InChIKey is PFFAHJUWACNDQA-QGOAFFKASA-N. The full InChI is InChI=1S/C14H23N5/c1-4-10(2)13(12-9-17-19-14(12)15-3)18-11-6-5-7-16-8-11/h9,11,16H,2,4-8H2,1,3H3,(H2,15,17,19)/b18-13+.
What are the key properties of 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine?
4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine has a molecular weight of 261.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C-but-1-en-2-yl-N-piperidin-3-ylcarbonimidoyl)-N-methyl-1H-pyrazol-5-amine is sourced from PubChem (CID 137143903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).