(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C15H25N5O — CID 66124763

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCCC(N3CCCC3)C2)c1N
InChIInChI=1S/C15H25N5O/c1-11-13(16)14(18(2)17-11)15(21)20-9-5-6-12(10-20)19-7-3-4-8-19/h12H,3-10,16H2,1-2H3
InChIKeyBMMKTLVMKKQIKC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.01
Rot. Bonds2

About (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 66124763) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID66124763
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCCC(N3CCCC3)C2)c1N
InChIInChI=1S/C15H25N5O/c1-11-13(16)14(18(2)17-11)15(21)20-9-5-6-12(10-20)19-7-3-4-8-19/h12H,3-10,16H2,1-2H3
InChIKeyBMMKTLVMKKQIKC-UHFFFAOYSA-N
XLogP1.01
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 66124677
(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
[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95719545
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66123826
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
(4-amino-1-methylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150471
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 82746672
[3-(azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 66124763) is (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1nn(C)c(C(=O)N2CCCC(N3CCCC3)C2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is BMMKTLVMKKQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-13(16)14(18(2)17-11)15(21)20-9-5-6-12(10-20)19-7-3-4-8-19/h12H,3-10,16H2,1-2H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.01, 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)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 66124763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).