(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone

C12H21N5O — CID 65355801

IUPAC(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8,13H2,1-2H3
InChIKeyIAZYUNYEYLJLQL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds3

About (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 65355801) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID65355801
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8,13H2,1-2H3
InChIKeyIAZYUNYEYLJLQL-UHFFFAOYSA-N
XLogP0.17
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 65359737
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 65359684
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355021
(4-amino-1-methylpyrazol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 65359734
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070
2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857155
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone (CID 65355801) is (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2c(N)cnn2C)CC1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is IAZYUNYEYLJLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-16-5-7-17(8-6-16)12(18)11-10(13)9-14-15(11)2/h9H,3-8,13H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 65355801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).