N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine

C13H21N5O2 — CID 106641007

IUPACN-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(N(CC2CCCCN2)C2CC2)n1
InChIInChI=1S/C13H21N5O2/c1-16-9-12(18(19)20)13(15-16)17(11-5-6-11)8-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3
InChIKeyGMVYRVJPOKNSNJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.44
Rot. Bonds5

About N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine

N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine (PubChem CID 106641007) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine
PubChem CID106641007
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(N(CC2CCCCN2)C2CC2)n1
InChIInChI=1S/C13H21N5O2/c1-16-9-12(18(19)20)13(15-16)17(11-5-6-11)8-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3
InChIKeyGMVYRVJPOKNSNJ-UHFFFAOYSA-N
XLogP1.44
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 106620287
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106641069
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641222
N-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
3-methyl-5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazol-4-amine
CID 106641511

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine (CID 106641007) is N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine is Cn1cc([N+](=O)[O-])c(N(CC2CCCCN2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine?
The InChIKey is GMVYRVJPOKNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16-9-12(18(19)20)13(15-16)17(11-5-6-11)8-10-4-2-3-7-14-10/h9-11,14H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine?
N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine has a molecular weight of 279.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-nitro-N-(piperidin-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 106641007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).