4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine

C13H25N5 — CID 63274020

IUPAC4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1CN
InChIInChI=1S/C13H25N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-9,14H2,1-4H3
InChIKeyLXCCMPVZTONFOZ-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.58
Rot. Bonds4

About 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine

4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine (PubChem CID 63274020) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
PubChem CID63274020
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CCN(C)C2)c1CN
InChIInChI=1S/C13H25N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-9,14H2,1-4H3
InChIKeyLXCCMPVZTONFOZ-UHFFFAOYSA-N
XLogP0.58
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
5-N,1-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011553
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027665
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340
4-(aminomethyl)-N,5,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 63233240
4-(aminomethyl)-N-(cyclopropylmethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 61445099
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61444659
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine (CID 63274020) is 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)CC2CCN(C)C2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
The InChIKey is LXCCMPVZTONFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-12(7-14)13(18(4)15-10)17(3)9-11-5-6-16(2)8-11/h11H,5-9,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine?
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine has a molecular weight of 251.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 63274020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).