N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide

C15H25N7 — CID 123204847

IUPACN'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CCC2)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C15H25N7/c1-21-5-7-22(8-6-21)14(17)10-13(16)18-15-9-12(19-20-15)11-3-2-4-11/h9,11,17H,2-8,10H2,1H3,(H3,16,18,19,20)/b17-14+
InChIKeyRNNYVTVTXGJDNJ-SAPNQHFASA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds4

About N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide

N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (PubChem CID 123204847) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
PubChem CID123204847
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC NameN'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CCC2)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C15H25N7/c1-21-5-7-22(8-6-21)14(17)10-13(16)18-15-9-12(19-20-15)11-3-2-4-11/h9,11,17H,2-8,10H2,1H3,(H3,16,18,19,20)/b17-14+
InChIKeyRNNYVTVTXGJDNJ-SAPNQHFASA-N
XLogP1.28
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 135306123
5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine
CID 58029408
(E)-N'-(3-isopropyl-1H-pyrazol-5-yl)-N,N-dimethylformimidamide
CID 66643263
5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
CID 76667931
5-(Piperidin-3-yl)-1H-pyrazol-3-amine
CID 83409082
3-Amino-5-(1-methyl-4-piperidyl)pyrazole
CID 115015725
5-Amino-3-(4-piperidyl)-1H-pyrazole Hydrochloride
CID 118020308

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (CID 123204847) is N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CCC2)[nH]n1)N1CCN(C)CC1.
What is the InChIKey of N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The InChIKey is RNNYVTVTXGJDNJ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H25N7/c1-21-5-7-22(8-6-21)14(17)10-13(16)18-15-9-12(19-20-15)11-3-2-4-11/h9,11,17H,2-8,10H2,1H3,(H3,16,18,19,20)/b17-14+.
What are the key properties of N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide has a molecular weight of 303.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 123204847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).