(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C13H19N5O — CID 66123987

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H19N5O/c1-4-5-17-6-8-18(9-7-17)13(19)12-11(14)10(2)15-16(12)3/h1H,5-9,14H2,2-3H3
InChIKeyJKPAAIWPXWMJQN-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.30
Rot. Bonds2

About (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 66123987) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID66123987
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H19N5O/c1-4-5-17-6-8-18(9-7-17)13(19)12-11(14)10(2)15-16(12)3/h1H,5-9,14H2,2-3H3
InChIKeyJKPAAIWPXWMJQN-UHFFFAOYSA-N
XLogP-0.30
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
CID 66125350
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
CID 66123250
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 66125786
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 114015226
(5-methyl-1H-pyrazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63997457

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 66123987) is (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)c2c(N)c(C)nn2C)CC1.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is JKPAAIWPXWMJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-5-17-6-8-18(9-7-17)13(19)12-11(14)10(2)15-16(12)3/h1H,5-9,14H2,2-3H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 261.33 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 66123987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).