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

C14H23N7 — CID 123484093

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C14H23N7/c1-20-4-6-21(7-5-20)13(16)9-12(15)17-14-8-11(18-19-14)10-2-3-10/h8,10,16H,2-7,9H2,1H3,(H3,15,17,18,19)/b16-13+
InChIKeyUVGJEVWWLSHMGK-DTQAZKPQSA-N
MW289.39 g/mol
LogP0.89
Rot. Bonds4

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

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (PubChem CID 123484093) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
PubChem CID123484093
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C14H23N7/c1-20-4-6-21(7-5-20)13(16)9-12(15)17-14-8-11(18-19-14)10-2-3-10/h8,10,16H,2-7,9H2,1H3,(H3,15,17,18,19)/b16-13+
InChIKeyUVGJEVWWLSHMGK-DTQAZKPQSA-N
XLogP0.89
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.89
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
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
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
1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(2-piperidin-1-ylethyl)urea
CID 69501400
5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
CID 76667931

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (CID 123484093) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(C)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The InChIKey is UVGJEVWWLSHMGK-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H23N7/c1-20-4-6-21(7-5-20)13(16)9-12(15)17-14-8-11(18-19-14)10-2-3-10/h8,10,16H,2-7,9H2,1H3,(H3,15,17,18,19)/b16-13+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide has a molecular weight of 289.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 123484093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).