N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine

C9H16N4 — CID 79740865

IUPACN-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1nccc1CNC1CCNC1
InChIInChI=1S/C9H16N4/c1-13-9(3-5-12-13)7-11-8-2-4-10-6-8/h3,5,8,10-11H,2,4,6-7H2,1H3
InChIKeyADAWCWQDZVWGFU-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.13
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine

N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 79740865) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID79740865
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1nccc1CNC1CCNC1
InChIInChI=1S/C9H16N4/c1-13-9(3-5-12-13)7-11-8-2-4-10-6-8/h3,5,8,10-11H,2,4,6-7H2,1H3
InChIKeyADAWCWQDZVWGFU-UHFFFAOYSA-N
XLogP-0.13
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
CID 65418761
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
CID 154734066
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine (CID 79740865) is N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine is Cn1nccc1CNC1CCNC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ADAWCWQDZVWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-9(3-5-12-13)7-11-8-2-4-10-6-8/h3,5,8,10-11H,2,4,6-7H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79740865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).