[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride

C13H23ClN4O — CID 119413051

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
SMILESCCCn1nc(C)c(C(=O)N2CC[C@@H](N)C2)c1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-4-6-17-10(3)12(9(2)15-17)13(18)16-7-5-11(14)8-16;/h11H,4-8,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyPFNINYGVSCRJNF-RFVHGSKJSA-N
MW286.81 g/mol
LogP1.50
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 119413051) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
PubChem CID119413051
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
SMILESCCCn1nc(C)c(C(=O)N2CC[C@@H](N)C2)c1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-4-6-17-10(3)12(9(2)15-17)13(18)16-7-5-11(14)8-16;/h11H,4-8,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyPFNINYGVSCRJNF-RFVHGSKJSA-N
XLogP1.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 120814051
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120814052
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124992904
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 127246392
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97099037
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124953737
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120745649

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride (CID 119413051) is [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride is CCCn1nc(C)c(C(=O)N2CC[C@@H](N)C2)c1C.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is PFNINYGVSCRJNF-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-4-6-17-10(3)12(9(2)15-17)13(18)16-7-5-11(14)8-16;/h11H,4-8,14H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119413051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).