N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine

C16H31N5 — CID 95139724

IUPACN,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC[C@@H]1CCCN1C
InChIInChI=1S/C16H31N5/c1-12(2)15-14(16(19(3)4)21(6)18-15)11-17-10-13-8-7-9-20(13)5/h12-13,17H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyKFKGIDAXZWPMBO-ZDUSSCGKSA-N
MW293.46 g/mol
LogP1.79
Rot. Bonds6

About N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine

N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine (PubChem CID 95139724) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
PubChem CID95139724
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC[C@@H]1CCCN1C
InChIInChI=1S/C16H31N5/c1-12(2)15-14(16(19(3)4)21(6)18-15)11-17-10-13-8-7-9-20(13)5/h12-13,17H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyKFKGIDAXZWPMBO-ZDUSSCGKSA-N
XLogP1.79
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,8aR)-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95274939
(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 95139447
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 95140170
(3R)-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 94822004
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 51105276
(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95294039
1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 106025646
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51105016
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine (CID 95139724) is N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H]1CCCN1C.
What is the InChIKey of N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine?
The InChIKey is KFKGIDAXZWPMBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H31N5/c1-12(2)15-14(16(19(3)4)21(6)18-15)11-17-10-13-8-7-9-20(13)5/h12-13,17H,7-11H2,1-6H3/t13-/m0/s1.
What are the key properties of N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine?
N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine has a molecular weight of 293.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 95139724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).