(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C11H19N5O — CID 63171387

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)14-13-7)11(17)16-5-4-8(6-16)15(2)3/h8H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyYKSVAGIURDPAIR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.08
Rot. Bonds2

About (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63171387) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63171387
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)14-13-7)11(17)16-5-4-8(6-16)15(2)3/h8H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyYKSVAGIURDPAIR-UHFFFAOYSA-N
XLogP0.08
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62995145
(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161995
(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66051784
3-amino-N-cycloheptyl-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43614389
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79315633
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalen-1-yl]methanone
CID 172670125
(3-amino-4-chloro-1H-pyrazol-5-yl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 77086875
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63171387) is (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is Cc1[nH]nc(N)c1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is YKSVAGIURDPAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-9(10(12)14-13-7)11(17)16-5-4-8(6-16)15(2)3/h8H,4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 237.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63171387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).