3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C11H20N6O — CID 64523251

IUPAC3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H20N6O/c1-16-4-6-17(7-5-16)3-2-13-11(18)9-8-10(12)15-14-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15)
InChIKeyOEHKJMGEBOXQMN-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.03
Rot. Bonds4

About 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64523251) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64523251
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCN(CCNC(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H20N6O/c1-16-4-6-17(7-5-16)3-2-13-11(18)9-8-10(12)15-14-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15)
InChIKeyOEHKJMGEBOXQMN-UHFFFAOYSA-N
XLogP-1.03
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 107162900
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 64523251) is 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is CN1CCN(CCNC(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OEHKJMGEBOXQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-16-4-6-17(7-5-16)3-2-13-11(18)9-8-10(12)15-14-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15).
What are the key properties of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).