N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine

C14H26N4 — CID 61226605

IUPACN-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCC(C)C2)c1CNC(C)C
InChIInChI=1S/C14H26N4/c1-10(2)15-8-13-12(4)16-17(5)14(13)18-7-6-11(3)9-18/h10-11,15H,6-9H2,1-5H3
InChIKeyFOGCLSFLMHPLEK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds4

About N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61226605) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID61226605
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCC(C)C2)c1CNC(C)C
InChIInChI=1S/C14H26N4/c1-10(2)15-8-13-12(4)16-17(5)14(13)18-7-6-11(3)9-18/h10-11,15H,6-9H2,1-5H3
InChIKeyFOGCLSFLMHPLEK-UHFFFAOYSA-N
XLogP2.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
CID 61434543
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
4-(bromomethyl)-1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole
CID 107080851
N-[[5-(2,3-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 62124120
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-amine
CID 61225576
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]-4-methylazepan-4-ol
CID 107405407
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
CID 55131179
N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114538619

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine (CID 61226605) is N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(C)c(N2CCC(C)C2)c1CNC(C)C.
What is the InChIKey of N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is FOGCLSFLMHPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)15-8-13-12(4)16-17(5)14(13)18-7-6-11(3)9-18/h10-11,15H,6-9H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61226605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).