(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C10H17N5O — CID 63605171

IUPAC(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2[nH]ncc2N)CCN1C
InChIInChI=1S/C10H17N5O/c1-7-6-15(4-3-14(7)2)10(16)9-8(11)5-12-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyMOSXWKSZFNHQTI-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.23
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63605171) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63605171
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2[nH]ncc2N)CCN1C
InChIInChI=1S/C10H17N5O/c1-7-6-15(4-3-14(7)2)10(16)9-8(11)5-12-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyMOSXWKSZFNHQTI-UHFFFAOYSA-N
XLogP-0.23
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 63102700
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 65358580
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604483
(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63103256
(4-amino-1H-pyrazol-5-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313234
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 63605171) is (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2[nH]ncc2N)CCN1C.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is MOSXWKSZFNHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-6-15(4-3-14(7)2)10(16)9-8(11)5-12-13-9/h5,7H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63605171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).